CID 67305381

1h-pyrrolo[2,3-b]pyridine-2-methanamine, hydrochloride (1:2)

Structural Information

Molecular Formula
C8H9N3
SMILES
C1=CC2=C(NC(=C2)CN)N=C1
InChI
InChI=1S/C8H9N3/c9-5-7-4-6-2-1-3-10-8(6)11-7/h1-4H,5,9H2,(H,10,11)
InChIKey
AGKPUYJSUTVVSC-UHFFFAOYSA-N
Compound name
1H-pyrrolo[2,3-b]pyridin-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

147.07965 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.086926 127.1
[M+Na]+ 170.068868 137.2
[M-H]- 146.072374 127.9
[M+NH4]+ 165.113473 147.7
[M+K]+ 186.042808 133.1
[M+H-H2O]+ 130.076910 120.4
[M+HCOO]- 192.077851 150.5
[M+CH3COO]- 206.093501 140.9
[M+Na-2H]- 168.054316 135.8
[M]+ 147.07910142 125.6
[M]- 147.08019858 125.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe